Information card for entry 7154590

Structure parameters

• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: c12ccccc1[C@]1(CCO[C@H](C1)C(C)(C)C)C(=O)C(=O)N2C.c12ccccc1[C@@]1(CCO[C@@H](C1)C(C)(C)C)C(=O)C(=O)N2C
• Title of publication: Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.
• Authors of publication: Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 8729 - 8733
• a: 24.909 ± 0.002 Å
• b: 9.2315 ± 0.0008 Å
• c: 6.9138 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1589.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No